COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060966
Chemical Name: 6-oxo-2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(cc(=O)[nH]c1SCC(=O)C12CC3CC(C2)CC(C1)C3)C(F)(F)F

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Saltdata: 0.5 N-methylmorpholi
Molecular Weight: 396.43
Empirical Formula: C19H19F3N2O2S

Available Amount: 0 mg

Lipinsky:
logP: 3.873
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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